(3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one

C7H10O3 — CID 143365707

IUPAC(3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one
SMILESC[C@@]12CCOC1OCC2=O
InChIInChI=1S/C7H10O3/c1-7-2-3-9-6(7)10-4-5(7)8/h6H,2-4H2,1H3/t6?,7-/m0/s1
InChIKeyJZALZASQBIOPEZ-MLWJPKLSSA-N
MW142.15 g/mol
LogP0.34
Rot. Bonds

About (3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one

(3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one (PubChem CID 143365707) has the molecular formula C7H10O3 and a molecular weight of 142.15 g/mol. Its IUPAC name is (3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one.

Molecular Properties

Compound Name(3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one
PubChem CID143365707
Molecular FormulaC7H10O3
Molecular Weight142.15 g/mol
Exact Mass142.06
IUPAC Name(3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one
SMILESC[C@@]12CCOC1OCC2=O
InChIInChI=1S/C7H10O3/c1-7-2-3-9-6(7)10-4-5(7)8/h6H,2-4H2,1H3/t6?,7-/m0/s1
InChIKeyJZALZASQBIOPEZ-MLWJPKLSSA-N
XLogP0.34
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one?
The IUPAC name of (3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one (CID 143365707) is (3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one.
What is the SMILES notation for (3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one?
The canonical SMILES for (3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one is C[C@@]12CCOC1OCC2=O.
What is the InChIKey of (3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one?
The InChIKey is JZALZASQBIOPEZ-MLWJPKLSSA-N. The full InChI is InChI=1S/C7H10O3/c1-7-2-3-9-6(7)10-4-5(7)8/h6H,2-4H2,1H3/t6?,7-/m0/s1.
What are the key properties of (3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one?
(3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one has a molecular weight of 142.15 g/mol, XLogP of 0.34, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aR)-3a-methyl-3,6a-dihydro-2H-furo[2,3-b]furan-4-one is sourced from PubChem (CID 143365707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).